Materials Data on Sc3Co2Ge3 by Materials Project

Abstract

Sc3Co2Ge3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 11-coordinate geometry to four equivalent Co and seven Ge atoms. There are a spread of Sc–Co bond distances ranging from 2.87–3.05 Å. There are a spread of Sc–Ge bond distances ranging from 2.84–3.09 Å. In the second Sc site, Sc is bonded in a 9-coordinate geometry to four equivalent Co and five Ge atoms. All Sc–Co bond lengths are 2.92 Å. There are a spread of Sc–Ge bond distances ranging from 2.80–2.97 Å. Co is bonded in a 10-coordinate geometry to six Sc and four Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.32–2.47 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Sc, three equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.66 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Sc and two equivalent Co atoms.